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SMILES: n1n(cc(c1)C=O)CC Canonical SMILES: CCn1cc(cn1)C=O InChI: InChI=1S/C6H8N2O/c1-2-8-4-6(5-9)3-7-8/h3-5H,2H2,1H3 InChIKey: UMSDESWKSPAALM-UHFFFAOYSA-N
CBID:16706 http://www.chembase.cn/molecule-16706.html